N-methyl-9H-thioxanthen-2-amine

C14H13NS — CID 175177494

IUPACN-methyl-9H-thioxanthen-2-amine
SMILESCNc1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C14H13NS/c1-15-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)16-14/h2-7,9,15H,8H2,1H3
InChIKeyGPXFAUZAYUQKQA-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.78
Rot. Bonds1

About N-methyl-9H-thioxanthen-2-amine

N-methyl-9H-thioxanthen-2-amine (PubChem CID 175177494) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-9H-thioxanthen-2-amine.

Molecular Properties

Compound NameN-methyl-9H-thioxanthen-2-amine
PubChem CID175177494
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC NameN-methyl-9H-thioxanthen-2-amine
SMILESCNc1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C14H13NS/c1-15-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)16-14/h2-7,9,15H,8H2,1H3
InChIKeyGPXFAUZAYUQKQA-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9H-thioxanthen-2-amine?
The IUPAC name of N-methyl-9H-thioxanthen-2-amine (CID 175177494) is N-methyl-9H-thioxanthen-2-amine.
What is the SMILES notation for N-methyl-9H-thioxanthen-2-amine?
The canonical SMILES for N-methyl-9H-thioxanthen-2-amine is CNc1ccc2c(c1)Cc1ccccc1S2.
What is the InChIKey of N-methyl-9H-thioxanthen-2-amine?
The InChIKey is GPXFAUZAYUQKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-15-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)16-14/h2-7,9,15H,8H2,1H3.
What are the key properties of N-methyl-9H-thioxanthen-2-amine?
N-methyl-9H-thioxanthen-2-amine has a molecular weight of 227.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9H-thioxanthen-2-amine is sourced from PubChem (CID 175177494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).